%chk=000243474.chk
%nprocshared=4
%mem=7GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000243474

0 1
S 0.999905 -3.314198 0.249860
O -2.880065 2.479525 -0.070342
O 3.997236 0.406585 0.331221
N -2.577642 0.198099 0.033047
N -2.035866 -2.056455 0.133272
N -0.230751 1.101447 0.052973
N 1.469135 -0.687800 0.152578
N 2.049390 1.655683 0.087180
C -1.161342 0.116554 0.067650
C -0.846615 -1.298800 0.129169
C 0.515113 -1.648389 0.169593
C -3.031958 -1.188109 0.077827
C 1.077919 0.636684 0.101195
C -3.394745 1.395359 -0.032671
C -4.868090 1.132608 -0.047458
C 3.471071 1.479496 0.189859
C 2.798565 -3.287921 0.224005
C 4.199689 2.791450 0.104862
H -4.086876 -1.424902 0.064511
H 1.665162 2.610175 0.009644
H -5.215895 0.615142 0.858799
H -5.185157 0.543334 -0.920505
H -5.418794 2.089624 -0.095616
H 3.221665 -2.315965 0.548510
H 3.179338 -3.472442 -0.787541
H 3.175786 -4.060275 0.904126
H 4.020196 3.315686 -0.844304
H 5.287680 2.618623 0.172545
H 3.936147 3.475981 0.923312


%chk=000243474-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000243474

0 1
S 0.977379 -3.441506 0.188710
O -2.822253 2.526723 -0.027158
O 4.100741 0.384116 0.186498
N -2.552206 0.197102 0.032745
N -2.071081 -2.063069 0.092039
N -0.206490 1.068568 0.066111
N 1.448765 -0.737594 0.138844
N 2.057524 1.573268 0.101695
C -1.135511 0.088505 0.065916
C -0.871727 -1.318960 0.101643
C 0.494628 -1.700740 0.139481
C -3.036855 -1.148356 0.051582
C 1.077193 0.568703 0.104474
C -3.351822 1.396555 -0.010838
C -4.856202 1.169039 -0.033925
C 3.466788 1.467551 0.142078
C 2.860483 -3.274490 0.235489
C 4.149143 2.836657 0.126768
H -4.099327 -1.375136 0.033644
H 1.648265 2.512076 0.069228
H -5.197406 0.628506 0.867471
H -5.164081 0.586703 -0.921203
H -5.346126 2.152615 -0.066190
H 3.098167 -2.196871 0.212695
H 3.267216 -3.788709 -0.646864
H 3.218762 -3.737979 1.165684
H 3.883998 3.406758 -0.782935
H 5.237929 2.687074 0.147979
H 3.854308 3.439688 1.005641


